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README.md

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inorganic.png

About data/split.sh:

When you run it, it will create the following directory tree inside split:

  • formula-name
    • train
      • formula
      • name
    • test
      • formula
      • name
  • formula-inorganic-organic
    • train
      • inorganic
      • organic
    • test
      • ...
  • name-inorganic-organic
    • train
      • ...
    • test
      • ...

Then, it will split the data read from source into single-line files and place them inside the final directories.